(E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one

C16H15NO — CID 162649157

IUPAC(E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1ccccn1
InChIInChI=1S/C16H15NO/c18-16(15-11-6-7-13-17-15)12-5-4-10-14-8-2-1-3-9-14/h1-3,5-9,11-13H,4,10H2/b12-5+
InChIKeyWYEMNEFPSDEFLG-LFYBBSHMSA-N
MW237.30 g/mol
LogP3.45
Rot. Bonds5

About (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one

(E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one (PubChem CID 162649157) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one
PubChem CID162649157
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1ccccn1
InChIInChI=1S/C16H15NO/c18-16(15-11-6-7-13-17-15)12-5-4-10-14-8-2-1-3-9-14/h1-3,5-9,11-13H,4,10H2/b12-5+
InChIKeyWYEMNEFPSDEFLG-LFYBBSHMSA-N
XLogP3.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one?
The IUPAC name of (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one (CID 162649157) is (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one.
What is the SMILES notation for (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one?
The canonical SMILES for (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one is O=C(/C=C/CCc1ccccc1)c1ccccn1.
What is the InChIKey of (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one?
The InChIKey is WYEMNEFPSDEFLG-LFYBBSHMSA-N. The full InChI is InChI=1S/C16H15NO/c18-16(15-11-6-7-13-17-15)12-5-4-10-14-8-2-1-3-9-14/h1-3,5-9,11-13H,4,10H2/b12-5+.
What are the key properties of (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one?
(E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenyl-1-pyridin-2-ylpent-2-en-1-one is sourced from PubChem (CID 162649157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).